Products for Research Use Only
RegisterLogin

2,4-Dimethylphenol-d9

CAT: 0572-TRC-D476513-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D476513-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
110599-12-7
Synonyms
2,4-Xylenol-d9; 1-Hydroxy-2,4-dimethylbenzene-d9; 2,4-DMP-d9; 4,6-Dimethylphenol-d9; 4-Hydroxy-1,3-dimethylbenzene-d9; NSC 3829-d9; m-Xylenol -d9;
Hazard Statement
Toxic if swallowed; UN number: UN2261; Packing Group: II
Smiles
[2H]C1=C(C([2H])([2H])[2H])C(O)=C([2H])C([2H])=C1C([2H])([2H])[2H]
Molecular Formula
C8HD9O
Molecular Weight
131.22
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,4-Dimethylphenol-d9
CAS Number110599-12-7
PubChem CID169438978
IUPAC Name2,3,5-trideuterio-4,6-bis(trideuteriomethyl)phenol
Molecular FormulaC8H10O
Molecular Weight131.22
XLogP2.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity90
SMILES
[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])C([2H])([2H])[2H])O)[2H]
InChI
InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3/i1D3,2D3,3D,4D,5D
InChIKey
KUFFULVDNCHOFZ-XVGWXEQOSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dimethylphenol-d9
CAS: 110599-12-7
CID: 169438978
Formula: C8H10O
MW: 131.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.22
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass131.129655652
Monoisotopic Mass131.129655652
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity90.6
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-D465857-250MG2,6-Dimethylphenol-d9 (Major)
TRC-D465857-25MG2,6-Dimethylphenol-d9 (Major)
TRC-D476510-25G2,4-Dimethylphenol
TRC-D476514-25MG2,4-Dimethylphenol-13C8
D4765172,4-Dimethylphenol-13C6
TRC-D476722-1MGN-(2,4-Dimethylphenyl)formamide-d9
TRC-D476722-5MGN-(2,4-Dimethylphenyl)formamide-d9
TRC-D476722-10MGN-(2,4-Dimethylphenyl)formamide-d9
TRC-C994636-10MG4-Chloro-2,6-dimethylphenol
TRC-M304433-25G4,4'-Methylenebis(2,6-dimethylphenol)

Alternative Products

CatalogName
CS-T-1014772,4-Dimethylphenol-d9
sc-4984662,6-Dimethylphenol-d9 (Major)
0102752,6-Dimethylphenol-d9 (Major) discontinued
OR61605-012,4-Dimethylphenol
420300-012,4-Dimethylphenol-13C8
420299-012,4-Dimethylphenol discontinued
1599252,4-Dimethylphenol-d10
ZCA571813-bromo-2,4-dimethylphenol
BAA12406-014-Chloro-2,5-dimethylphenol
CAA431914-Methoxy-2,6-dimethylphenol

Popular Products